Accuracy

pentafluoroiodobenzene   5864 Pentafluoroiodobenzene

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    #  Species Formula
  5854 Li(I)O4I (HARCEI)H20LiC8O4I
  5855 Li(+)(H2O)5.IH10LiO5I
  5856 Li(+)(H2O)5.I (Geo)H10LiO5I
  5857 Iodine fluoride (Geo)FI
  5858 Iodine fluorideFI
  5859 Trifluoroiodomethane (Geo)CF3I
  5860 TrifluoroiodomethaneCF3I
  5861 1,1,1-Trifluoro-2-iodoethaneC2H2F3I
  5862 Iodine pentafluoride (Geo)F5I
  5863 Iodine pentafluorideF5I
  5864 Pentafluoroiodobenzene C6F5I
  5865 Iodine heptafluoride (Geo)F7I
  5866 Iodine heptafluorideF7I
  5867 Sodium iodide, cationNaI
  5868 Sodium iodide (Geo)NaI
  5869 Sodium iodideNaI
  5870 Aluminum iodideAlI
  5871 Al(III)C3I(-) (MAIMAL) (Geo)C3H9AlI
  5872 Al(III)C3I(-) (MAIMAL)C3H9AlI
  5873 IodosilaneH3SiI
  5874 Iodosilane (Geo)H3SiI


ΔHf: -176.6 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Pentafluoroiodobenzene
 H=-176.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39571305 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39598567 +1  118.0684019 +1    0.0000000 +0     2     1     0
  C     1.40020602 +1  121.3324920 +1   -0.0062103 +1     3     2     1
  C     1.39671663 +1  119.9481857 +1   -0.0037987 +1     4     3     2
  C     1.39662334 +1  119.3644696 +1    0.0011480 +1     5     4     3
  F     1.31856966 +1  120.9785855 +1 -179.9655415 +1     1     2     3
  F     1.31697280 +1  120.1005604 +1  179.9998996 +1     6     5     4
  F     1.31543349 +1  120.3413838 +1  179.9871787 +1     5     4     6
  F     1.31703735 +1  119.9529813 +1 -179.9973279 +1     4     3     5
  F     1.31864178 +1  120.9594672 +1 -179.9964543 +1     3     2     4
  I     2.10992270 +1  120.9815894 +1  179.9755620 +1     2     1     3